C162H106N18 — CID 159940548
3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-6,9-dihydronaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole (PubChem CID 159940548) has the molecular formula C162H106N18 and a molecular weight of 2304.76 g/mol. Its IUPAC name is 3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-6,9-dihydronaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole.
| Compound Name | 3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-6,9-dihydronaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole |
|---|---|
| PubChem CID | 159940548 |
| Molecular Formula | C162H106N18 |
| Molecular Weight | 2304.76 g/mol |
| Exact Mass | 2302.88 |
| IUPAC Name | 3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-6,9-dihydronaphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphtho[1,2-g]indole;6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,2-diphenyl-3-(6-pyridin-4-yl-2-pyridinyl)naphtho[1,2-g]indole |
| SMILES | C1=CC(c2ccc(-c3cn4cccnc4n3)cc2)c2ccc3c(ccc4c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc(-c6cn7ccccc7n6)cc5)c43)c2C1.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3c2ccc2c4cccc(-c5ccc(-c6cn7cccnc7n6)cc5)c4ccc23)cc1.c1ccc(-c2c(-c3ccccc3)n(-c3cccc(-c4ccncc4)n3)c3c2ccc2c4cccc(-c5ccc(-c6cn7cccnc7n6)cc5)c4ccc23)cc1 |
| InChI | InChI=1S/C59H38N6.C53H36N6.C50H32N6/c1-4-14-41(15-5-1)55-51-35-33-49-47-21-12-20-46(39-24-26-40(27-25-39)53-38-63-37-13-36-60-59(63)62-53)48(47)32-34-50(49)57(51)65(56(55)42-16-6-2-7-17-42)45-30-28-43(29-31-45)58-61-52-22-10-11-23-54(52)64(58)44-18-8-3-9-19-44;1-3-11-38(12-4-1)50-46-29-27-44-42-16-9-15-41(35-18-20-36(21-19-35)48-34-58-32-10-30-54-53(58)56-48)43(42)26-28-45(44)52(46)59(51(50)39-13-5-2-6-14-39)40-24-22-37(23-25-40)47-33-57-31-8-7-17-49(57)55-47;1-3-10-36(11-4-1)47-43-25-23-41-39-15-7-14-38(33-18-20-34(21-19-33)45-32-55-31-9-28-52-50(55)54-45)40(39)22-24-42(41)49(43)56(48(47)37-12-5-2-6-13-37)46-17-8-16-44(53-46)35-26-29-51-30-27-35/h1-38H;1-15,17-34,41H,16H2;1-32H |
| InChIKey | OAUZARWAAZMRIC-UHFFFAOYSA-N |
| XLogP | 39.14 |
| TPSA | 166.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2304.76 |
| LogP ≤ 5 | 39.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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